N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C26H18BrN3OS2 MolecularWeight: 532.47462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C26H18BrN3OS2/c27-21-8-4-5-18-19(21)6-3-7-20(18)24(31)30-26(32)28-15-16-11-13-17(14-12-16)25-29-22-9-1-2-10-23(22)33-25/h1-14H,15H2,(H2,28,30,31,32)